6DYG
Fe(II)-bound structure of the engineered cyt cb562 variant, CH3Y
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.2 |
Synchrotron site | ALS |
Beamline | 5.0.2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-04-01 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.00 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 34.739, 83.513, 39.088 |
Unit cell angles | 90.00, 99.99, 90.00 |
Refinement procedure
Resolution | 38.495 - 1.490 |
R-factor | 0.1921 |
Rwork | 0.191 |
R-free | 0.21700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2bc5 |
RMSD bond length | 0.011 |
RMSD bond angle | 1.040 |
Data reduction software | MOSFLM |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX ((1.11.1_2575: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 38.495 | 1.527 |
High resolution limit [Å] | 1.490 | 1.490 |
Rmerge | 0.041 | 0.450 |
Number of reflections | 35186 | 2999 |
<I/σ(I)> | 23.87 | 2.35 |
Completeness [%] | 97.9 | 84.45 |
Redundancy | 6.4 | 4.2 |
CC(1/2) | 1.000 | 0.875 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | Drop consists of 2 uL of 25% PEG 1500, 200 mM Magnesium Chloride and 0.1 M Bis-Tris (pH 6.5) mixed with 1 uL of 2.7 mM protein and 1.5 mM Iron(II) Sulfate (Anaerobic crystal growth) |